6-(4,5-diphenyl-1,3-oxazol-2-yl)-4-oxohexanoic acid

C21H19NO4 — CID 157423218

IUPAC6-(4,5-diphenyl-1,3-oxazol-2-yl)-4-oxohexanoic acid
SMILESO=C(O)CCC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C21H19NO4/c23-17(12-14-19(24)25)11-13-18-22-20(15-7-3-1-4-8-15)21(26-18)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,24,25)
InChIKeyNAKPSMPJEPZQKZ-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.38
Rot. Bonds8

About 6-(4,5-diphenyl-1,3-oxazol-2-yl)-4-oxohexanoic acid

6-(4,5-diphenyl-1,3-oxazol-2-yl)-4-oxohexanoic acid (PubChem CID 157423218) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-(4,5-diphenyl-1,3-oxazol-2-yl)-4-oxohexanoic acid.

Molecular Properties

Compound Name6-(4,5-diphenyl-1,3-oxazol-2-yl)-4-oxohexanoic acid
PubChem CID157423218
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name6-(4,5-diphenyl-1,3-oxazol-2-yl)-4-oxohexanoic acid
SMILESO=C(O)CCC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C21H19NO4/c23-17(12-14-19(24)25)11-13-18-22-20(15-7-3-1-4-8-15)21(26-18)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,24,25)
InChIKeyNAKPSMPJEPZQKZ-UHFFFAOYSA-N
XLogP4.38
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4,5-diphenyl-1,3-oxazol-2-yl)-4-oxohexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614
4-(4,5-diphenyl-1,3-oxazol-2-yl)butan-2-one;ethane
CID 144634986
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid;2-hydroxybenzoic acid
CID 174802507
zinc;bis(3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate);dihydrate
CID 71477488
3-[5-(3,5-difluorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid
CID 164621381
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid;2-hydroxyethyl(trimethyl)azanium
CID 175600148
3-[5-(2-chlorophenyl)-4-phenyl-1,3-oxazol-2-yl]propanoic acid
CID 164615357
2-[(4,5-diphenyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 177380548
4-[4-(4-methylsulfonylphenyl)-5-phenyl-1,3-oxazol-2-yl]butanoic acid
CID 11947956
3-(4,5-diphenyl-1,3-oxazol-2-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 18271632
2-(diethylamino)ethyl 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate
CID 68798727
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 4904052

Frequently Asked Questions

What is the IUPAC name of 6-(4,5-diphenyl-1,3-oxazol-2-yl)-4-oxohexanoic acid?
The IUPAC name of 6-(4,5-diphenyl-1,3-oxazol-2-yl)-4-oxohexanoic acid (CID 157423218) is 6-(4,5-diphenyl-1,3-oxazol-2-yl)-4-oxohexanoic acid.
What is the SMILES notation for 6-(4,5-diphenyl-1,3-oxazol-2-yl)-4-oxohexanoic acid?
The canonical SMILES for 6-(4,5-diphenyl-1,3-oxazol-2-yl)-4-oxohexanoic acid is O=C(O)CCC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 6-(4,5-diphenyl-1,3-oxazol-2-yl)-4-oxohexanoic acid?
The InChIKey is NAKPSMPJEPZQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c23-17(12-14-19(24)25)11-13-18-22-20(15-7-3-1-4-8-15)21(26-18)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,24,25).
What are the key properties of 6-(4,5-diphenyl-1,3-oxazol-2-yl)-4-oxohexanoic acid?
6-(4,5-diphenyl-1,3-oxazol-2-yl)-4-oxohexanoic acid has a molecular weight of 349.39 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-diphenyl-1,3-oxazol-2-yl)-4-oxohexanoic acid is sourced from PubChem (CID 157423218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).